N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide

C17H20N4O — CID 138043527

IUPACN-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCc3ccccc3C2C)nn1
InChIInChI=1S/C17H20N4O/c1-3-18-17(22)15-8-9-16(20-19-15)21-11-10-13-6-4-5-7-14(13)12(21)2/h4-9,12H,3,10-11H2,1-2H3,(H,18,22)
InChIKeyXCCRABIPIQWCPE-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.35
Rot. Bonds3

About N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide

N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (PubChem CID 138043527) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
PubChem CID138043527
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(N2CCc3ccccc3C2C)nn1
InChIInChI=1S/C17H20N4O/c1-3-18-17(22)15-8-9-16(20-19-15)21-11-10-13-6-4-5-7-14(13)12(21)2/h4-9,12H,3,10-11H2,1-2H3,(H,18,22)
InChIKeyXCCRABIPIQWCPE-UHFFFAOYSA-N
XLogP2.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
N-ethyl-6-[3-(methylamino)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113282123
N-ethyl-6-[(2S)-2-phenylthiomorpholin-4-yl]pyridazine-3-carboxamide
CID 97326064
N-ethyl-6-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 129336758
N-ethyl-6-[(2S)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridazine-3-carboxamide
CID 129328202
6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrido[2,3-b]pyrazine
CID 133343862
6-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118400
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
6-(2,3-dihydroindol-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109127308
N-butan-2-yl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109111708
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)carbamic acid
CID 54262288
6-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109113164

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (CID 138043527) is N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is CCNC(=O)c1ccc(N2CCc3ccccc3C2C)nn1.
What is the InChIKey of N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The InChIKey is XCCRABIPIQWCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-18-17(22)15-8-9-16(20-19-15)21-11-10-13-6-4-5-7-14(13)12(21)2/h4-9,12H,3,10-11H2,1-2H3,(H,18,22).
What are the key properties of N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 138043527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).